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16368-97-1

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Basic Information
CAS No.: 16368-97-1
Name: bis(2-ethylhexyl) phenyl phosphate
Article Data: 4
Molecular Structure:
Molecular Structure of 16368-97-1 (bis(2-ethylhexyl) phenyl phosphate)
Formula: C22H39 O4 P
Molecular Weight: 398.523
Synonyms: Bis(2-ethylhexyl)phenyl phosphate; DAFF; Di(2-ethylhexyl) phenyl phosphate
Density: 0.999g/cm3
Boiling Point: 442.9°C at 760 mmHg
Flash Point: 235°C
Safety: Poison by inhalation. Moderately toxic by intraperitoneal route. Mildly toxic by and ingestion. When heated to decomposition it emits toxic fumes of POx. See also PHOSPHATES.
PSA: 54.57000
LogP: 7.63950
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    Bis-(2-ethylhexyl)-phenyl phosphate

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    bis(2-ethylhexyl) phenyl phosphate

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Chemistry

Product Name: Bis(2-ethylhexyl) phenyl phosphate (CAS NO.16368-97-1)


Molecular Formula: C22H39O4P
Molecular Weight: 398.516421g/mol
Mol File: 16368-97-1.mol
Einecs: 240-424-5
Boiling point: 442.9 °C at 760 mmHg
Flash Point: 235 °C
Density: 0.999 g/cm3
Surface Tension: 34.6 dyne/cm
Enthalpy of Vaporization: 67.34 kJ/mol
Vapour Pressure: 1.26E-07 mmHg at 25°C
XLogP3-AA: 7.2
H-Bond Donor: 0
H-Bond Acceptor: 4
IUPAC Name: bis(2-ethylhexyl) phenyl phosphate
Canonical SMILES: CCCCC(CC)COP(=O)(OCC(CC)CCCC)OC1=CC=CC=C1
InChI: InChI=1S/C22H39O4P/c1-5-9-14-20(7-3)18-24-27(23,
26-22-16-12-11-13-17-22)25-19-21(8-4)15-10-6-2/h11-13,16-17,20-21H,5-10,
14-15,18-19H2,1-4H3 
InChIKey: ZXZYMQCBRZBVIC-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 9333mg/kg (9333mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974.
mouse LC50 inhalation 5gm/m3 (5000mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 15(8), Pg. 30, 1971.
mouse LD50 intraperitoneal 473mg/kg (473mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 15(8), Pg. 30, 1971.
mouse LD50 oral 9333mg/kg (9333mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 15(8), Pg. 30, 1971.
rat LCLo inhalation 18mg/m3/4H (18mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 52, 1982.
rat LD50 intraperitoneal 1178mg/kg (1178mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 15(8), Pg. 30, 1971.

Safety Profile

Poison by inhalation. Moderately toxic by intraperitoneal route. Mildly toxic by and ingestion. When heated to decomposition it emits toxic fumes of POx. See also PHOSPHATES.

Specification

 Bis(2-ethylhexyl) phenyl phosphate ,its CAS NO. is 16368-97-1,the synonyms is 4-06-00-00712 (Beilstein Handbook Reference) ; AI3-16977 ; BRN 2012463 ; DAFF ; DEPP ; Di(2-ethylhexyl)phenyl phosphate ; EINECS 240-424-5 ; Phosphoric acid, bis(2-ethylhexyl)phenyl ester .